COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK120424
Chemical Name: ethyl2-[(2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C(Sc2[nH]c(=O)c(c(n2)c2ccc(cc2)OC)C#N)CC)sc2c1CCCC2

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Saltdata: HCl
Molecular Weight: 552.68
Empirical Formula: C27H28N4O5S2

Physical State: Dry powder
Available Amount: 151 mg

Lipinsky:
logP: 5.999
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 183
Number of rings: 4

     

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